2-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]-3,3-dimethyl-butanoic acid

Systemtic Name: 2-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]-3,3-dimethyl-butanoic acid Openeye Name: 2-[(2-chloro-5-methylsulfanyl-benzoyl)amino]-3,3-dimethyl-butanoic acid CAS Name: 2-[[[2-chloro-5-(methylthio)phenyl]-oxomethyl]amino]-3,3-dimethylbutanoic acid IUPAC Name: 2-[(2-chloro-5-methylsulfanylbenzoyl)amino]-3,3-dimethylbutanoic acid Traditional Name: 2-[[2-chloro-5-(methylthio)benzoyl]amino]-3,3-dimethyl-butyric acid Formula: C14H18ClNO3S MolecularWeight: 315.81562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)O)NC(=O)C1=C(C=CC(=C1)SC)Cl

Isomeric SMILES

CC(C)(C)C(C(=O)O)NC(=O)C1=C(C=CC(=C1)SC)Cl

InChI

InChI=1S/C14H18ClNO3S/c1-14(2,3)11(13(18)19)16-12(17)9-7-8(20-4)5-6-10(9)15/h5-7,11H,1-4H3,(H,16,17)(H,18,19)